2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

C19H14ClF3N6O — CID 163215257

IUPAC2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESNc1n[nH]c2cc(-c3cnn(CC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccc12
InChIInChI=1S/C19H14ClF3N6O/c20-15-4-2-12(6-14(15)19(21,22)23)26-17(30)9-29-8-11(7-25-29)10-1-3-13-16(5-10)27-28-18(13)24/h1-8H,9H2,(H,26,30)(H3,24,27,28)
InChIKeyQUANGRPSSRBAFD-UHFFFAOYSA-N
MW434.81 g/mol
LogP4.32
Rot. Bonds4

About 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 163215257) has the molecular formula C19H14ClF3N6O and a molecular weight of 434.81 g/mol. Its IUPAC name is 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID163215257
Molecular FormulaC19H14ClF3N6O
Molecular Weight434.81 g/mol
Exact Mass434.09
IUPAC Name2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESNc1n[nH]c2cc(-c3cnn(CC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccc12
InChIInChI=1S/C19H14ClF3N6O/c20-15-4-2-12(6-14(15)19(21,22)23)26-17(30)9-29-8-11(7-25-29)10-1-3-13-16(5-10)27-28-18(13)24/h1-8H,9H2,(H,26,30)(H3,24,27,28)
InChIKeyQUANGRPSSRBAFD-UHFFFAOYSA-N
XLogP4.32
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.81
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-(pyridin-3-ylamino)-1H-indazol-6-yl]pyrazol-1-yl]acetamide
CID 163215252
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[3-(methylsulfonylmethyl)anilino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide
CID 163215253
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(2-methylindazol-6-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide
CID 163215255
2-[4-(3-acetamido-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 163215256
2-[4-[3-(ethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 163215264
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(1-methylpyrazol-4-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide
CID 163215269
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[4-methyl-3-(methylsulfamoyl)anilino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide
CID 163215271
N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 163215272
N-[6-[1-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 163215276
2-[4-[3-(cyclopropylmethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 163215279
2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 163215281
2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 163215282

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (CID 163215257) is 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is Nc1n[nH]c2cc(-c3cnn(CC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccc12.
What is the InChIKey of 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QUANGRPSSRBAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N6O/c20-15-4-2-12(6-14(15)19(21,22)23)26-17(30)9-29-8-11(7-25-29)10-1-3-13-16(5-10)27-28-18(13)24/h1-8H,9H2,(H,26,30)(H3,24,27,28).
What are the key properties of 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 434.81 g/mol, XLogP of 4.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 163215257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).